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SMILES: COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CC2(COC2)C1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 622507   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM622507
PNG
(US20230312583, Compound I-3)
Show SMILES COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CC2(COC2)C1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.455n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM622507
PNG
(US20230312583, Compound I-3)
Show SMILES COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CC2(COC2)C1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.71n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1


(Homo sapiens (Human)-Mus musculus (mouse))
BDBM622507
PNG
(US20230312583, Compound I-3)
Show SMILES COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CC2(COC2)C1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 344n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM622507
PNG
(US20230312583, Compound I-3)
Show SMILES COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CC2(COC2)C1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 46.9n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM622507
PNG
(US20230312583, Compound I-3)
Show SMILES COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CC2(COC2)C1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 186n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM622507
PNG
(US20230312583, Compound I-3)
Show SMILES COc1cc(Nc2ncc3ccc4ncn(C(C)C)c4c3n2)ncc1N1CC2(COC2)C1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 60.6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair